(4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine

C27H33N — CID 158907974

IUPAC(4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine
SMILESCCc1cccc(CC)c1N1C(C)[C@@H](c2ccc3ccccc3c2)CC1(C)C
InChIInChI=1S/C27H33N/c1-6-20-13-10-14-21(7-2)26(20)28-19(3)25(18-27(28,4)5)24-16-15-22-11-8-9-12-23(22)17-24/h8-17,19,25H,6-7,18H2,1-5H3/t19?,25-/m0/s1
InChIKeyDDQUWEASZYJNSJ-BIAFCPFJSA-N
MW371.57 g/mol
LogP7.13
Rot. Bonds4

About (4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine

(4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine (PubChem CID 158907974) has the molecular formula C27H33N and a molecular weight of 371.57 g/mol. Its IUPAC name is (4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine.

Molecular Properties

Compound Name(4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine
PubChem CID158907974
Molecular FormulaC27H33N
Molecular Weight371.57 g/mol
Exact Mass371.26
IUPAC Name(4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine
SMILESCCc1cccc(CC)c1N1C(C)[C@@H](c2ccc3ccccc3c2)CC1(C)C
InChIInChI=1S/C27H33N/c1-6-20-13-10-14-21(7-2)26(20)28-19(3)25(18-27(28,4)5)24-16-15-22-11-8-9-12-23(22)17-24/h8-17,19,25H,6-7,18H2,1-5H3/t19?,25-/m0/s1
InChIKeyDDQUWEASZYJNSJ-BIAFCPFJSA-N
XLogP7.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine?
The IUPAC name of (4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine (CID 158907974) is (4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine.
What is the SMILES notation for (4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine?
The canonical SMILES for (4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine is CCc1cccc(CC)c1N1C(C)[C@@H](c2ccc3ccccc3c2)CC1(C)C.
What is the InChIKey of (4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine?
The InChIKey is DDQUWEASZYJNSJ-BIAFCPFJSA-N. The full InChI is InChI=1S/C27H33N/c1-6-20-13-10-14-21(7-2)26(20)28-19(3)25(18-27(28,4)5)24-16-15-22-11-8-9-12-23(22)17-24/h8-17,19,25H,6-7,18H2,1-5H3/t19?,25-/m0/s1.
What are the key properties of (4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine?
(4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine has a molecular weight of 371.57 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine is sourced from PubChem (CID 158907974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).